Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [1-477]
Ligand
BDBM445525
Substrate
n/a
Meas. Tech.
Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay
IC50
<5±n/a nM
Citation
 Quesnelle, CA; Harikrishnan, LS; Hill, MD Tricyclic compounds as anticancer agents US Patent  US10683290 Publication Date 6/16/2020 
Target
Name:
Bromodomain-containing protein 4 [1-477]
Synonyms:
BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4)(1-477) | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52863.68
Organism:
Homo sapiens (Human)
Description:
O60885[1-477]
Residue:
475
Sequence:
MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPP
  
Inhibitor
Name:
BDBM445525
Synonyms:
2-[7-(Dimethyl-1,2-oxazol-4-yl)-6-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl]propan-2-ol and 2-[7-(dimethyl-1,2-oxazol-4-yl)-8-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl]propan-2-ol | US10683290, Example 17 | US10683290, Example 18
Type:
Small organic molecule
Emp. Form.:
C31H32FN3O3
Mol. Mass.:
513.6025
SMILES:
Cc1noc(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wU:11.11,(4.71,-7.18,;5.48,-5.85,;7,-5.61,;7.24,-4.09,;5.87,-3.39,;5.87,-1.85,;4.78,-4.47,;3.3,-4.08,;2.27,-5.22,;.76,-4.9,;-.49,-5.81,;-.49,-7.35,;.85,-8.12,;2.18,-7.35,;3.51,-8.12,;3.51,-9.66,;2.18,-10.43,;.85,-9.66,;-1.82,-8.12,;-3.15,-7.35,;-4.49,-8.12,;-4.49,-9.66,;-3.15,-10.43,;-1.82,-9.66,;-1.73,-4.9,;-3.24,-5.22,;-4.27,-4.08,;-3.79,-2.61,;-2.29,-2.29,;-1.26,-3.44,;.28,-3.44,;1.31,-2.29,;2.82,-2.61,;3.85,-1.47,;-5.76,-4.47,;-6.85,-3.39,;-6.16,-5.96,;-7.24,-4.87,)|
Structure:
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